Using the molecular dynamics simulation method, the microstructure of the distortion region near the curved amorphous-like grain boundary in nano-NiAl alloy is studied. The results show that due to the internal elasti...Using the molecular dynamics simulation method, the microstructure of the distortion region near the curved amorphous-like grain boundary in nano-NiAl alloy is studied. The results show that due to the internal elastic force of the high-energy grain boundary, a distortion layer exists between the grain and grain boundary. The lattice expansion and the decreasing structure factor are observed in this region. The stacking fault in samples with a grain size of 3.8 nm is clearly observed across the distortion region at the site very close to the grain. The inItuences of different grain sizes on average distortion degree and volume fractions of the distortion region, grain and grain boundary are also discussed.展开更多
基金Supported by the National Natural Science Foundation of China under Grant Nos.59871056 and 59831020the Special Funds for the Major State Basic Research Projects of China(G2000067104).
文摘Using the molecular dynamics simulation method, the microstructure of the distortion region near the curved amorphous-like grain boundary in nano-NiAl alloy is studied. The results show that due to the internal elastic force of the high-energy grain boundary, a distortion layer exists between the grain and grain boundary. The lattice expansion and the decreasing structure factor are observed in this region. The stacking fault in samples with a grain size of 3.8 nm is clearly observed across the distortion region at the site very close to the grain. The inItuences of different grain sizes on average distortion degree and volume fractions of the distortion region, grain and grain boundary are also discussed.
